2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide

C26H28N4O2 — CID 56538657

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N4O2/c1-18-22(19(2)30-24(27-18)17-26(32)29-30)16-25(31)28-23(21-13-7-4-8-14-21)15-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,17,23H,9,12,15-16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyDLIJYZPTCSVJTP-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.06
Rot. Bonds8

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide (PubChem CID 56538657) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide
PubChem CID56538657
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N4O2/c1-18-22(19(2)30-24(27-18)17-26(32)29-30)16-25(31)28-23(21-13-7-4-8-14-21)15-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,17,23H,9,12,15-16H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyDLIJYZPTCSVJTP-UHFFFAOYSA-N
XLogP4.06
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide (CID 56538657) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NC(CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide?
The InChIKey is DLIJYZPTCSVJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-18-22(19(2)30-24(27-18)17-26(32)29-30)16-25(31)28-23(21-13-7-4-8-14-21)15-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,17,23H,9,12,15-16H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide has a molecular weight of 428.54 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide is sourced from PubChem (CID 56538657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).